SCHEMBL753057

SCHEMBL753057

CCOC(=O)C(O)=Cc1ncc(CCc2ccc(F)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 6/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL753056 1.00 MEN1 (0.42) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL753284 0.90 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL753283 0.90 MEN1 (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL13754992 0.90 KDM4E (0.42) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL754257 0.80 MAPT (0.47) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL754258 0.80 MAPT (0.47) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL757266 0.75 NR3C2 (0.44) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL757267 0.75 NR3C2 (0.44) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL753116 0.73 MAPT (0.42) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL753117 0.73 MAPT (0.42) MEN1KMT2AMAPTNPSR1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed